(2,6-ditert-butyl-4-methyl-cyclohexyl) 2-(4-tert-butylphenyl)-6-cyano-5-oxidanylidene-3,6-dihydropyrrolo[1,2-b][1,2,4]triazole-7-carboxylate

Systemtic Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 2-(4-tert-butylphenyl)-6-cyano-5-oxidanylidene-3,6-dihydropyrrolo[1,2-b][1,2,4]triazole-7-carboxylate Openeye Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 2-(4-tert-butylphenyl)-6-cyano-5-oxo-3,6-dihydropyrrolo[1,2-b][1,2,4]triazole-7-carboxylate CAS Name: 2-(4-tert-butylphenyl)-6-cyano-5-oxo-3,6-dihydropyrrolo[1,2-b][1,2,4]triazole-7-carboxylic acid (2,6-ditert-butyl-4-methylcyclohexyl) ester IUPAC Name: (2,6-ditert-butyl-4-methylcyclohexyl) 2-(4-tert-butylphenyl)-6-cyano-5-oxo-3,6-dihydropyrrolo[1,2-b][1,2,4]triazole-7-carboxylate Traditional Name: 2-(4-tert-butylphenyl)-6-cyano-5-keto-3,6-dihydropyrrolo[1,2-b][1,2,4]triazole-7-carboxylic acid (2,6-ditert-butyl-4-methyl-cyclohexyl) ester Formula: C32H44N4O3 MolecularWeight: 532.71676

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C1)C(C)(C)C)OC(=O)C2=C3N=C(NN3C(=O)C2C#N)C4=CC=C(C=C4)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1CC(C(C(C1)C(C)(C)C)OC(=O)C2=C3N=C(NN3C(=O)C2C#N)C4=CC=C(C=C4)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C32H44N4O3/c1-18-15-22(31(5,6)7)25(23(16-18)32(8,9)10)39-29(38)24-21(17-33)28(37)36-27(24)34-26(35-36)19-11-13-20(14-12-19)30(2,3)4/h11-14,18,21-23,25H,15-16H2,1-10H3,(H,34,35)